7-AZAINDOLE-3-CARBOXALDEHYDE

The CAS registry number of 2,9-Diazabicyclo[4.3.0]nona-2,4,7,10-tetraene-7-carbaldehyde is 4649-09-6. It belongs to the product categories of Heterocycles series; Aldehydes; Fused Ring Systems. This chemical is also named as 3-Formyl-1H-pyrrolo[2,3-b]pyridine. In addition, its molecular formula is C₈H₆N₂O and molecular weight is 146.15. Its systematic name and IUPAC name are the same which is called 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde.

Physical properties about 2,9-Diazabicyclo[4.3.0]nona-2,4,7,10-tetraene-7-carbaldehyde are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)ACD/BCF (pH 5.5): 4.87; (6)ACD/BCF (pH 7.4): 4.9; (7)ACD/KOC (pH 5.5): 107.78; (8)ACD/KOC (pH 7.4): 108.61; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.747; (13)Molar Refractivity: 43.37 cm³; (14)Molar Volume: 106.7 cm³; (15)Surface Tension: 71 dyne/cm; (16)Density: 1.368 g/cm³; (17)Flash Point: 176 °C; (18)Enthalpy of Vaporization: 60.69 kJ/mol; (19)Boiling Point: 361.1 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful if swallowed. It is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c1cccnc1nc2
(2)InChI: InChI=1/C8H6N2O/c11-5-6-4-10-8-7(6)2-1-3-9-8/h1-5H,(H,9,10)
(3)InChIKey: KAIWRKYDYWYFIT-UHFFFAOYAF